3-[5-({[2-(4-chlorophenyl)ethyl]amino}methyl)furan-2-yl]-2-methylbenzoic acid

3-[5-({[2-(4-chlorophenyl)ethyl]amino}methyl)furan-2-yl]-2-methylbenzoic acid

Formula: C21H20ClNO3

SMILES: CC1=C(C=CC=C1C1=CC=C(CNCCC2=CC=C(Cl)C=C2)O1)C(O)=O

IUPAC: 3-[5-({[2-(4-chlorophenyl)ethyl]amino}methyl)furan-2-yl]-2-methylbenzoic acid

InChI: InChI=1S/C21H20ClNO3/c1-14-18(3-2-4-19(14)21(24)25)20-10-9-17(26-20)13-23-12-11-15-5-7-16(22)8-6-15/h2-10,23H,11-13H2,1H3,(H,24,25)

Composition: C (68.20%), H (5.45%), Cl (9.59%), N (3.79%), O (12.98%)

Molar Mass: 369.85

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	369.1131712
Formal Charge	0
FSP3	0.19
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	UAACYTPZPRRSHU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.18
Topological Polar Surface Area	62.47
Polarizability	40.66
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H20ClNO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00